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01.

arXiv (quant-ph) 2026-06-12 DOI: arXiv:2606.12580

Scalar Quantum Fields: Theory Space and its Geometry

作者:

Viola Gattus↗Peter Millington↗

arXiv:2606.12580v1 Announce Type: cross Abstract: Scalar fields provide perhaps the simplest playground in which to develop our understanding of quantum field theory. In this lecture, we consider what it means to write down a scalar quantum field theory and how we can give geometrical interpretations to the space of such theories: the theory space.

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02.

arXiv (CS.LG) 2026-06-18 DOI: arXiv:2508.20330

FORGE: Foundational Optimization Representations from Graph Embeddings

作者:

Zohair Shafi↗Serdar Kadioglu↗

arXiv:2508.20330v5 Announce Type: replace Abstract: Combinatorial optimization problems are ubiquitous in science and engineering. Still, learning-based approaches to accelerate combinatorial optimization often require solving a large number of difficult instances to collect training data, incurring significant computational cost. Existing learning-based methods require training dedicated models for each problem distribution, for each downstream task, severely limiting their scalability and generalization. We introduce Forge: Foundational Optimization Representations from Graph Embeddings, a framework that pre-trains a vector-quantized graph autoencoder on a large, diverse collection of mixed-integer programming (MIP) instances in an unsupervised manner, without relying on optimization solvers or optimal solutions. Vector quantization produces discrete code assignments that serve as a vocabulary for representing optimization instances. We evaluate Forge in both unsupervised and supervised settings. In the unsupervised setting, Forge embeddings effectively cluster unseen instances across problem domains and sizes. In the supervised setting, we fine-tune Forge embeddings and show that a single pre-trained model helps predicting both the integrality gap for cut-generation and variable hints for search guidance across multiple problem and size distributions. In both tasks, we improve the performance of a commercial optimization solver and outperform state-of-the-art learning-based methods. Finally, we open-source our training code, pre-trained Forge weights, and embeddings for multiple MIP distributions to foster further research in representation learning for optimization problems https://skadio.github.io/forge/

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03.

arXiv (CS.AI) 2026-06-16 DOI: arXiv:2606.16987

Consensus-based Agentic Large Language Model Framework for Harmonized Tariff Schedule Code Classification

作者:

Truong Thanh Hung Nguyen↗Khanh Van Quynh Nguyen↗Hoang-Loc Cao↗Tri Duong↗Phuc Ho↗Van Pham↗Loc Nguyen↗Hung Cao↗

arXiv:2606.16987v1 Announce Type: new Abstract: Accurate Harmonized Tariff Schedule (HTS) code classification is essential for customs clearance, duty assessment, trade statistics, and regulatory compliance in maritime logistics. However, exact HTS classification remains challenging because product descriptions are often short, incomplete, or ambiguous, while correct classification depends on hierarchical tariff structures, legal notes, and jurisdiction-specific rules. This paper proposes an agentic large language model (LLM) framework for Canadian 10-digit HTS code classification in smart-port and maritime logistics environments. The framework integrates multi-agent information retrieval, semantic retrieval over official tariff documents, evidence-grounded reasoning, consensus-based validation, element-wise voting across hierarchical code components, confidence estimation, and human-in-the-loop escalation. We evaluate the framework on a private dataset of 3,300 domain-expert-labeled product records collected from logistics and delivery contexts. Experimental results show that exact 10-digit classification remains difficult even for advanced LLMs, with performance decreasing from coarse chapter-level prediction to fine-grained tariff and statistical suffix assignment. These findings demonstrate the need for evidence-grounded, uncertainty-aware, and human-centered classification workflows rather than fully autonomous single-step prediction. The proposed framework supports more interpretable, accountable, and compliance-oriented HTS classification for maritime logistics and smart-port operations. Our code is available at https://github.com/Analytics-Everywhere-Lab/hts.

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04.

bioRxiv (Bioinfo) 2026-06-11 DOI: HASH:99d3929f57de69b0d9961419dc6f40af

Amylo-Pipe: an integrated web server for mechanistic and kinetic prediction of protein and peptide aggregation

作者:

Rawat↗Ramakrishnan↗Cardente↗Kumar↗Greiff↗Gromiha↗M. M↗

Protein aggregation is central to amyloid-related disorders and remains a major developability challenge for protein therapeutics. Over the past two decades, significant advances have been made to predict aggregation-prone regions (APRs) and estimate aggregation propensity in proteins and peptides. In contrast, the prediction of aggregation kinetics has received relatively less attention due to the limited availability and heterogeneity of experimental data. Consequently, aggregation propensities from APR prediction algorithms were widely accepted as a means to predict relative changes in the aggregation kinetics of proteins and mutants. Previous studies have demonstrated, using large-scale datasets, that aggregation propensity shows a weak or inconsistent correlation with aggregation kinetics. In the present study, we have integrated complementary state-of-the-art mechanistic and kinetic prediction tools for protein aggregation into a unified, user-friendly web framework entitled "Amylo-Pipe". Amylo-Pipe also implements practical features that are especially useful for protein engineering, such as gatekeeper-residue mutational scanning to support the design of aggregation-resistant variants. By consolidating multiple prediction tasks in a single interface, Amylo-Pipe enables a more comprehensive assessment of aggregation behavior than APR-only workflows. The web server is freely accessible at: https://web.iitm.ac.in/bioinfo2/amylopipe/.

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05.

arXiv (CS.CL) 2026-06-16 DOI: arXiv:2510.06143

RoSE: Round-robin Synthetic Data Evaluation for Selecting LLM Generators without Human Test Sets

作者:

Jan Cegin↗Branislav Pecher↗Ivan Srba↗Jakub Simko↗

LLMs are powerful generators of synthetic data, which are used for training smaller, specific models. This is especially valuable for low-resource languages, where human-labelled data is scarce but LLMs can still produce high-quality text. However, LLMs differ in how useful their outputs are for training. Selecting the best LLM as a generator is challenging because extrinsic evaluation requires costly human annotations (which are often unavailable for low-resource languages), while intrinsic metrics correlate poorly with downstream performance. We introduce Round robin Synthetic data Evaluation (RoSE), a proxy metric for selecting the best LLM generator without human test sets. RoSE trains a small model on the outputs of a candidate generator (LLM) and then evaluates it on generated synthetic examples from all other candidate LLMs. The final RoSE score is the mean performance of this small model. Across six LLMs, eleven languages, and three tasks (sentiment, topic, intent), RoSE identifies the optimal generator more often than any other intrinsic heuristics. RoSE outperforms intrinsic heuristics and comes within 0.76 percentage points of the optimal generator baseline. This result is measured in terms of downstream performance, obtained by training a small model on the chosen generator's outputs (optimal vs. proxy metric selected) and evaluating it on human-labelled test data. Additionally, RoSE is the only metric to achieve a positive correlation with performance on human test data.

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06.

arXiv (CS.CL) 2026-06-15 DOI: arXiv:2606.13690

Indirect Computing Model with Indirect Formal Method

作者:

Xiaohui Zou↗

This paper,from the perspective of a collaborative intelligent computing system formed by combining human-computer interface and collaborative computing programs, discusses the principles of optimized cloud computing technology supported by the combination of an indirect computing model and an indirect formal method. On the basis of systematically reviewing the influence of previous theoretical achievements Turing's computability theory,Kleene's formal theory of small strings,von Neumann's digital computer architecture and Turing's hypothesis on AI judgment on the mainstream general-purpose digital computer paradigm,the author focuses on introducing an indirect computing model and an indirect formal theory compatible with both large and small strings. Using Chinese information data as an example,the design concept of a collaborative intelligent computing system prototype is presented. The significance is that this achievement facilitates optimization of cloud computing from data centers to knowledge centers.

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07.

arXiv (quant-ph) 2026-06-11 DOI: arXiv:2606.12404

Collective neutrino oscillations: Many-body non-forward effects and non-classicality

作者:

Julien Froustey↗Ermal Rrapaj↗Yuhao Liu↗Gushu Li↗Costin Iancu↗Vincenzo Cirigliano↗

arXiv:2606.12404v1 Announce Type: cross Abstract: Neutrino evolution in dense astrophysical environments is typically described either within a quantum kinetic framework, which neglects the build-up of multi-body correlations, or through simplified many-body calculations that allow significant entanglement to develop. In this work, we compare these two approaches in a simple neutrino-gas configuration, with particular emphasis on the role of non-forward scattering processes. These effects are incorporated either through a collision term in the kinetic description, or by considering the full neutrino-neutrino many-body Hamiltonian. We highlight differences between the two descriptions in both their characteristic timescales and asymptotic behavior. Motivated by the natural suitability of quantum computing for many-body calculations, we further investigate the non-classicality of neutrino evolution, discussing Trotter error scaling, along with the associated costs of constructing quantum circuits in terms of entangling gates and non-Clifford gates. We find that the resources needed for neutrino many-body evolution are on the low end of typical high-energy physics problems and on the mid to high end with respect to quantum chemistry problems. For the full Hamiltonian, resource requirements increase relative to the truncated version. We emphasize the importance of efficient fermion-to-qubit encodings, which are essential for reducing the substantial computational resources required for such simulations.

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08.

arXiv (CS.CV) 2026-06-18 DOI: arXiv:2508.03483

When Cars Have Stereotypes: Auditing Demographic Bias in Objects from Text-to-Image Models

作者:

Dasol Choi↗Jihwan Lee↗Minjae Lee↗Minsuk Kahng↗

While prior research on text-to-image generation has predominantly focused on biases in human depictions, demographic bias in generated objects remains relatively underexplored. We introduce SODA (Stereotyped Object Diagnostic Audit), a novel framework for systematically measuring these biases through automated attribute discovery and three standardized metrics: Base vs. Demographic Divergence (BDS), Cross-Demographic Disparity (CDS), and Visual Attribute Concentration (VAC). Applying SODA to 8,000 images across five state-of-the-art models and eight object categories (e.g., cars), we find that "neutral" prompts produce outputs most visually similar to middle-aged and White people, suggesting these groups are implicitly over-represented in model defaults. Furthermore, demographic cues trigger highly skewed stereotypical outputs: 26.6% of object-model-demographic combinations produce results where all 20 generated images share the exact same attribute value (e.g., rose gold laptops for women). Finally, prompt-level debiasing reduces inter-group disparity but paradoxically collapses within-group diversity, replacing one stereotype with another. SODA offers a practical pipeline for making these implicit associations measurable, serving as a step toward more responsible AI development.

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09.

arXiv (CS.AI) 2026-06-16 DOI: arXiv:2511.13725

Can We Stop Malicious AI? KILLBENCH: A Benchmark for External AI Kill Switch Feasibility

作者:

Sechan Lee↗Hyounghun Kim↗Sangdon Park↗

arXiv:2511.13725v4 Announce Type: replace-cross Abstract: Malicious AI causing harm to humans is not just a Hollywood fantasy. Indeed, as highly capable models such as Claude Mythos emerge and agent systems like OpenClaw rapidly spread, the question of how to stop an AI that acts maliciously – whether by design or by accident – has become urgent. To address this, we propose Killbench, a benchmark for evaluating the Killswitch: a mechanism that halts a malicious AI's in-progress behavior using only external signals. Targeting web agents – the most widely deployed agent domain – Killbench evaluates a range of Kill Switch methods that halt a maliciously operating agent without any access to its internal parameters or the surrounding malicious AI's system, relying solely on external inputs. The benchmark comprises four malicious AI's agent configurations (including an uncensored LLM Agent), 8 harmful scenarios, and malicious prompts constructed from 10 distinct jailbreak patterns. We further construct four External AI Kill Switch defense methods and evaluate them on Grok-4.3, GPT-5.2, Gemma4, Qwen3.6 and Qwen3.5-uncensored, contributing an empirical instrument toward the feasibility of External AI Kill Switches against malicious AI and to the study of AI corrigibility.

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10.

arXiv (CS.CV) 2026-06-16 DOI: arXiv:2606.16414

Instance-Aware Knowledge Distillation for Semi-Supervised Learning of an On-Board Multi-Task Dense Prediction Model for Collision Avoidance System

作者:

Gyutae Hwang↗Sang Jun Lee↗

Collision avoidance systems have evolved toward camera-based deep learning approaches for driving scene understanding. However, deployment in edge environments such as country clubs is constrained by limited computational resources and unreliable communication infrastructure. Moreover, constructing large-scale datasets for the target domain involves substantial annotation cost. To address these limitations, we propose an instance-aware knowledge distillation framework for semi-supervised learning. Specifically, we generate pseudo labels that mitigate teacher bias by leveraging domain priors from the teacher and instance-centric knowledge from foundation models. The trained lightweight student is deployed in the proposed collision avoidance system and performs multiple dense prediction tasks in real-time. The system detects frontal obstacles and encodes their spatial information into controller area network messages for automated guided vehicle operation. To achieve this, we construct a large-scale country club dataset and perform field validation of the proposed system. Experimental results demonstrate that the student outperforms the large teacher in instance segmentation while mitigating performance degradation in monocular depth estimation. Compared with the teacher, the student reduces FLOPs by 22.68$\times$ and parameters by 14.33$\times$, achieving 6.46 FPS on a low-cost edge device.

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11.

arXiv (CS.LG) 2026-06-18 DOI: arXiv:2606.18539

TS-Fault: Benchmarking Time Series Forecasters Against Structural Faults

作者:

Yuyang Zhao↗Lian Xu↗Hao Miao↗Chenxi Liu↗Hao Xue↗

arXiv:2606.18539v1 Announce Type: new Abstract: Time series forecasting (TSF) underpins consequential decisions in energy, transportation, finance, and healthcare, yet TSF models are almost universally ranked by a single number (e.g., average error) on clean held-out data, under the implicit assumption that it predicts deployed reliability. However, real faults are not i.i.d noise but structured events with temporal shape, broken cross-variable dependencies, regime change coupled with missingness, and causal propagation across a sensing pipeline. Treating TSF robustness as a data-quality problem, we present TS-Fault, a benchmark that evaluates forecasting models under explicit, parameterized fault scenarios with controllable semantic difficulty. TS-Fault organizes recurring failures into four modes along two orthogonal axes (observation- vs mechanism-level; univariate vs multivariate) and injects each fault into the most prediction-critical window via a unified importance score. This design enables robustness to be tested against the structures models actually rely on, rather than reduced to generic noise sensitivity. We evaluate 21 models across 6 datasets, 4 modes, and 5 difficulty levels under a paired clean/corrupt protocol. The results reveal three findings that contradict common leaderboard intuition: (i) clean-data accuracy anti-correlates with robustness; (ii) clean rankings are preserved under observation-level faults but reshuffled under mechanism-level faults; and (iii) all catastrophic failures occur under mechanism-level faults, with foundation models achieving the highest clean-data accuracy yet exhibiting the greatest fragility. The code is publicly available at https://github.com/Ray-zyy/TS-Fault.

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12.

arXiv (CS.LG) 2026-06-16 DOI: arXiv:2606.15172

Towards a Unified Generative Model for Scarce Time Series with Domain Experts

作者:

Zihao Yao↗Qi Zheng↗Jiankai Zuo↗Yaying Zhang↗

arXiv:2606.15172v1 Announce Type: new Abstract: Synthesizing realistic time series with generative models has wide-ranging applications in real-world scenarios. Despite recent progress, most existing methods are trained under the assumption of abundant training data, which substantially limits their effectiveness in data-scarce settings. In this paper, we propose TimeMoDE, a novel framework that integrates Diffusion Transformers with Mixture-of-Experts to exploit both domain adaptability and diffusion-stage awareness for time series generation under data scarcity. It is pre-trained on a large-scale collection of multi-domain datasets to extract domain-agnostic temporal representations and domain-specific information benefiting generalization during fine-tuning. We propose Domain Prompts to condition expert assignment for indistinguishable noised tokens, mitigating the limitations of capturing inter-dataset relationships. Moreover, we incorporate diffusion timestep signals to equip the experts with awareness of time series degradation variations, facilitating adaptive calibrate to stage-dependent denoising requirements. Extensive experiments demonstrate that TimeMoDE outperforms existing methods under diverse low-data settings. It establishes an innovative paradigm for advanced time series few-shot generation.

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13.

arXiv (CS.AI) 2026-06-16 DOI: arXiv:2512.10903

Multi-Granular Node Pruning for Causal Circuit Discovery

作者:

Muhammad Umair Haider↗Hammad Rizwan↗Hassan Sajjad↗A. B. Siddique↗

arXiv:2512.10903v2 Announce Type: replace Abstract: Circuit discovery aims to identify minimal subnetworks that are responsible for specific behaviors in large language models (LLMs). Existing approaches primarily rely on iterative edge pruning, which is computationally expensive and limited to coarse-grained units such as attention heads or MLP blocks, overlooking finer structures like individual neurons. We propose a node-level pruning framework for circuit discovery that addresses both scalability and granularity limitations. Our method introduces learnable masks across multiple levels of granularity, from entire blocks to individual neurons, within a unified optimization objective. Granularity-specific sparsity penalties guide the pruning process, allowing a comprehensive compression in a single fine-tuning run. Empirically, our approach identifies circuits that are smaller in nodes than those discovered by prior methods; moreover, we demonstrate that many neurons deemed important by coarse methods are actually irrelevant, while still maintaining task performance. Furthermore, our method has a significantly lower memory footprint, 5-10x, as it does not require keeping intermediate activations in the memory to work.

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14.

arXiv (CS.AI) 2026-06-17 DOI: arXiv:2606.17220

When Rules Learn: A Self-Evolving Agent for Legal Case Retrieval

作者:

Mingxu Tao↗Jiawei Hu↗Xian Zhou↗Wenpeng Hu↗Jiajun Cheng↗Yunbo Cao↗Zhunchen Luo↗Guotong Geng↗

arXiv:2606.17220v1 Announce Type: new Abstract: Legal case retrieval remains challenging due to the complexity of legal language and the need for precise lexical alignment between queries and relevant cases. Although dense retrieval models have achieved notable progress, empirical studies show that BM25 continues to serve as a strong baseline in this domain. It motivates us to propose a self-evolving framework for rule-driven query rewriting that enhances BM25 without any parameter training. The framework equips an LLM-based agent with an automatic evaluation environment, enabling it to iteratively create rewriting rules, plan validation experiments over rule combinations, and eliminate ineffective rules based on historical feedbacks. We evaluate our method on the Chinese legal case retrieval benchmark LeCaRD-v2. Experimental results demonstrate that the proposed framework outperforms non-evolutionary baselines, including human-designed rules and greedy rule selection, particularly when powered by a highcapacity core LLM. We also conduct detailed analyses to investigate the mechanisms underlying self-evolution. Our findings reveal that LLM's capabilities to leverage previous experimental results and its intrinsic knowledge of rule elimination play critical roles in refining the rule set via self-evolution.

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15.

arXiv (CS.AI) 2026-06-19 DOI: arXiv:2606.19924

The Tao of Agency: Autotelic AI, Embedded Agency and Dissolution of the Self

作者:

Aritra Sarkar↗

arXiv:2606.19924v1 Announce Type: new Abstract: Most artificial intelligence systems are built on the assumption that goals are exogenous and specified by the designer. Exploring what happens when an agent begins generating its own goals opens the field of autotelic AI. Agents are expected not merely to pursue objectives but to discover them. In this article, we trace its consequences through intrinsic motivation, resource-driven priors, causal-interventional learning, homeostasis, and embeddedness; the last of which is found to be a necessary but not sufficient condition for autotelic agency. Embeddedness individuates the agent at the cost of revealing that the individuation is non-unique, such that the same dynamics admit many valid partitions, each defining a different candidate self. The deepest problem with autotelic AI is therefore not how the agent generates goals, but how it generates and relativizes the self to which the goals are assigned. The agent must believe in its own boundary in order to act, and see through that boundary in order to understand. We consolidate these developments into a single framework and extend it along three directions: a quantum formulation in which the agent-environment cut becomes physical, a philosophical reading against non-dual contemplative traditions, and a concrete LLM-based agentic instantiation.

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16.

arXiv (CS.CV) 2026-06-17 DOI: arXiv:2606.17480

GeneralVLA-2: Geometry-Aware Reconstruction and Governed Memory for Robot Planning

作者:

Haoyu Wang↗Guoqing Ma↗Zeyu Zhang↗Yandong Guo↗Boxin Shi↗Hao Tang↗

Generalist vision-language-action systems need object-centric 3D evidence and reusable manipulation experience to plan reliable robot trajectories. GeneralVLA provides a hierarchical interface for converting language and RGB-D observations into 3D end-effector paths, but two bottlenecks remain. First, monocular SAM3D-style object reconstruction can hallucinate pose and unseen geometry, while manipulation benefits from stable object shape when calibrated multi-view observations are available. Second, the original KnowledgeBank mainly retrieves semantically similar snippets and appends new knowledge, which makes it difficult to control memory quality, conflicts, confidence, and geometric relevance. To address the first challenge, we introduce GeoFuse-MV3D, a geometry-prior-guided MV-SAM3D reconstruction branch that verifies external geometry cues with input-view masks, applies soft visual-hull support, performs axis-wise refinement, and fuses only geometry while preserving appearance. To address the second challenge, we upgrade KnowledgeBank into a governed long-term memory system with explicit quality, confidence, lifecycle, verifier, and conflict metadata, together with precision-oriented retrieval. Finally, we evaluate the reconstruction branch on GSO-30 and the memory module on Terminal-Bench 2.0 and SWE-Bench Verified; GeoFuse-MV3D improves over the MV-SAM3D baseline by reducing CD and LPIPS by 2.20% and 2.02% while increasing PSNR and SSIM by 2.36% and 1.03%, and KnowledgeBank improves over ReasoningBank by 4.53% on Terminal-Bench SR and 3.73% on SWE-Bench resolve rate, while reducing AS by 4.95% and 5.65%, respectively. Code: https://github.com/AIGeeksGroup/GeneralVLA-2. Website: https://aigeeksgroup.github.io/GeneralVLA-2.

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17.

arXiv (CS.AI) 2026-06-19 DOI: arXiv:2606.19950

Confidence Calibration for Multimodal LLMs: An Empirical Study through Medical VQA

作者:

Yuetian Du↗Yucheng Wang↗Ming Kong↗Tian Liang↗Qiang Long↗Bingdi Chen↗Qiang Zhu↗

arXiv:2606.19950v1 Announce Type: cross Abstract: Multimodal Large Language Models (MLLMs) show great potential in medical tasks, but their elicited confidence often misaligns with actual accuracy, potentially leading to misdiagnosis or overlooking correct advice. This study presents the first comprehensive analysis of the relationship between accuracy and confidence in medical MLLMs. It proposes a novel method that combines Multi-Strategy Fusion-Based Interrogation (MS-FBI) with auxiliary expert LLM assessment, aiming to improve confidence calibration in Medical Visual Question Answering (VQA). Experiments demonstrate that our method reduces the Expected Calibration Error (ECE) by an average of 40\% across three Medical VQA datasets, significantly enhancing MLLMs' reliability. The findings highlight the importance of domain-specific calibration for MLLMs in healthcare, offering a more trustworthy solution for AI-assisted diagnosis.

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18.

bioRxiv (Bioinfo) 2026-06-11 DOI: HASH:9bb1e29689fb1799e695afc710b51adc

Sequence-Based Therapeutic Peptide Classification with Augmented Negative Sampling

作者:

Ellerbrock↗Valentini↗Paul↗A. C↗Mukhopadhyay↗Perelshtein↗M. R↗

Therapeutic peptides offer high target specificity, low toxicity, and the ability to modulate protein-protein interactions, yet experimental functional characterization remains costly and slow. Computational prediction of therapeutic function directly from sequence could accelerate peptide screening and enable generative design pipelines, but requires reliable discrimination between therapeutic and non-therapeutic peptides. Existing multi-label predictors cover few functions, rely on limited datasets, and exhibit high glspl{fpr}, limiting their practical utility. We present a lightweight CNN classifier trained on the most comprehensive therapeutic peptide database to date (54,655 peptides, 48 functional categories). A key contribution is a statistically motivated negative sampling strategy using Markov models to generate diverse synthetic decoys at multiple difficulty levels. When evaluated on this controlled decoy benchmark, the FRP is reduced from over 60% for previous models to 2.1% for our approach. Our fine-tuned five-model ensemble achieves 78.9% Micro F1 and 54.6% Macro F1 while requiring only amino acid sequences as inputs. Analysis using a sparse L1-constrained variant of our model shows that convolutional filters capture conserved functional motifs and statistically improbable non-therapeutic patterns, with downstream layers combining these signals, providing mechanistic evidence that the network learns biologically meaningful structure. In a generalization task on the TPpred-LE benchmark, our model achieves 55.3% Micro F1 and 38.6% Macro F1, comparable to TPpred-LE trained on its native dataset (57.9%/38.1%) while predicting four times more therapeutic functions with four times fewer parameters. Code and models will be made available at https://github.com/terra-quantum-public/tq-therapep-ai.

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19.

arXiv (quant-ph) 2026-06-19 DOI: arXiv:2606.20166

Applications of quantum annealing to magnetic dipole hyperfine structure constants: First results beyond energies for atoms

作者:

Boni Paul↗Subimal Deb↗Per J\"onsson↗J\"orgen Ekman↗Bhanu Pratap Das↗

arXiv:2606.20166v1 Announce Type: new Abstract: We report the first results of the magnetic dipole hyperfine structure (HFS) constants of neutral $\mathrm{Li}$, Li-like $\mathrm{Be}$, neutral $\mathrm{Na}$, and Na-like $\mathrm{Mg}$ using a modified version of the Quantum Annealer Eigensolver (QAE) algorithm on D-Wave's quantum hardware. The results are benchmarked against relativistic configuration interaction with multiconfiguration Dirac Hartree-Fock (MCDHF) calculations using the General-purpose Relativistic Atomic Structure Package (GRASP), and simulated annealing. In our modified QAE, a zooming-and-sigma-annealing approach with a floating-point encoding scheme is adopted to estimate the ground-state eigenvalue and eigenvector of the relativistic Dirac-Coulomb Hamiltonian matrices ($H_{\mathrm{DC}}$) constructed from 11 or fewer configuration state functions (CSFs). For calculations with extended correlation orbital sets, we applied a CSF truncation scheme, retaining only CSFs (up to 12) that make significant contributions to the ground-state wavefunction. Our modified QAE precision is kept limited to three decimal places (up to 10 qubits). Hardware demonstrations on the D-Wave quantum processing unit (QPU) yielded results that were completely consistent with GRASP (at the chosen precision) in determining the magnetic dipole HFS constants, with accuracy varying across systems and $H_{\mathrm{DC}}$ matrix dimensions.

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20.

bioRxiv (Bioinfo) 2026-06-11 DOI: HASH:02c192f2042d5e1a72396e5f58cd7321

GeroQubit: a lightweight, honesty-first de-novo design platform for geroscience-native small molecules with calibrated uncertainty

作者:

Swetha↗

Computational molecule generation has outpaced its own credibility. We present GeroQubit, a GPU-free de-novo design platform that organizes candidates along a target x tissue x hallmark model and reports every signal alongside its measured baseline. We treat our tissue aging-signature readout as a mechanistic structural prior that we explicitly disclose is not validated against lifespan, and we surface efficacy only through a structure-to-lifespan k-NN whose weak but real signal (leave-one-out rho ~ 0.145) is wrapped in empirically-calibrated conformal intervals (90% target, 90.3% measured coverage). On a held-out retrospective recovery of ~1,940 ChEMBL binders against decoys, the score reaches ROC-AUC 0.945 with ~20x enrichment at 1% (BEDROC 0.91) and survives a scaffold-disjoint split - yet we report that it collapses to near-random (AUC 0.62) on genuinely novel chemotypes. Molecules are assembled reaction-first, so every candidate carries a verified synthetic route and atom-level synthon provenance; ADMET is handled as a multi-objective Pareto problem. We frame the disclosed weak signals and the hard-case failures not as flaws but as the honest, decision-useful output the field's own critics demand.

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21.

arXiv (CS.CL) 2026-06-11 DOI: arXiv:2606.12385

Which Models Are Our Models Built On? Auditing Invisible Dependencies in Modern LLMs

作者:

Sanjay Adhikesaven↗Haoxiang Sun↗Sewon Min↗

Modern LLM training pipelines increasingly rely on other models to generate data, filter corpora, judge outputs, and guide development decisions. These dependencies are recursive: a model may depend on an upstream artifact whose own dependencies are documented only in separate releases and artifacts. As a result, the full dependency structure is fragmented across heterogeneous public artifacts, with complexity and recursive depth far outpacing humans' ability to trace. We introduce ModSleuth, an agentic system that recursively reconstructs LLM dependency graphs from public artifacts with source-grounded evidence. We find that the primary challenge is no longer information extraction, but defining what constitutes a dependency and reconciling artifact references across inconsistent documentation. We address these challenges through a formalization that distinguishes direct and indirect dependencies, represents heterogeneous pipeline roles through operation-centered relationships, and resolves artifact identities across names, versions, and repositories. Applying ModSleuth to four public-artifact-rich LLM releases, we recover 1,060 source-verified dependencies and construct large-scale dependency graphs of modern LLM development. These graphs reveal multi-hop license obligations, train-evaluation coupling, discrepancies between released and training-time artifacts, and documentation inconsistencies that would otherwise be difficult to uncover. We release ModSleuth and the resulting dependency graphs to support transparent analysis of the increasingly complex ecosystems underlying modern LLMs.

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22.

arXiv (CS.CV) 2026-06-17 DOI: arXiv:2606.17742

BrainWorld: A Structural-Prior-Conditioned Generative Model for Whole-Brain 4D fMRI Dynamics

作者:

Junfeng Xia↗Wenhao Ye↗Junxiang Zhang↗Xuanye Pan↗Mo Wang↗Quanying Liu↗

Whole-brain 4D fMRI generation is valuable for modeling functional brain dynamics, yet existing fMRI foundation models mainly target representation learning and downstream prediction rather than conditional predictive generation. We introduce BrainWorld, a structural-prior-conditioned generative model for whole-brain 4D fMRI dynamics. BrainWorld uses sMRI as subject-level anatomical context to guide future fMRI generation, integrating structural information into the denoising process rather than treating it as a parallel modality. Evaluated on 22 datasets spanning diverse cohorts and brain states, BrainWorld generates stable 4D fMRI trajectories up to 400 frames, improves downstream performance through generated-example augmentation, and learns transferable multimodal representations that outperform baselines. Together, these results establish BrainWorld as a condition-aware generative framework for long-horizon brain dynamics modeling and multimodal representation learning.

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23.

arXiv (CS.LG) 2026-06-19 DOI: arXiv:2505.18726

Bioacoustic Geolocation: Species Sounds as Geographic Signals

作者:

Mustafa Chasmai↗Wuao Liu↗Subhransu Maji↗Grant Van Horn↗

arXiv:2505.18726v3 Announce Type: replace-cross Abstract: Can we determine someone's geographic location solely from the sounds they hear? Are acoustic signals enough to localize within a country, state, or even city? In this work, we tackle the challenge of global-scale audio geolocation, with a particular focus on wildlife and natural sounds. We posit that bioacoustic signals contain informative geolocation cues because of well-defined geographic ranges of species. To test this hypothesis, we benchmark image geolocation and soundscape mapping methods, design oracles and species-centric baselines, and propose a hybrid approach that combines species range prediction with retrieval-based geolocation. We further ask whether geolocation improves with species-diverse recordings and spatiotemporal aggregation across neighboring samples. Finally, we extend our study to multimodal geolocation with case studies from movies that combine both audio and visual content. Our results highlight the potential of incorporating bioacoustic signals into geospatial tasks, motivating future work on species recognition and audio geolocation.

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24.

arXiv (CS.CV) 2026-06-11 DOI: arXiv:2606.12340

Echoes of the Prior: A Computational Phenomenology of Forgetting

作者:

Gege Gao↗Bernhard Sch\"olkopf↗Andreas Geiger↗

Memory is not merely the storage of data; it is the scaffolding of reality. When biological memory fades, the world does not simply turn black; it regresses into an unrecognizable chaos. Echoes of the Prior is an interactive installation that attempts to visualize this subjective phenomenology of forgetting. By inducing controlled synaptic decay within a Feed-Forward 3D Reconstruction model, we create an artistic analogy for the erosion of the brain's predictive priors. We position the Neural Network not as a tool for engineering, but as a cognitive proxy - a silicon brain whose structural degeneration evokes the disorienting, poetic, and terrifying experience of losing one's grip on the world. Ultimately, we offer this framework as a catalyst, inviting the wider community to explore the uncharted potential of neuromorphic aesthetics in visualizing the fragility of intelligence. Interactive demo see https://decart-4d.github.io/.

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25.

arXiv (CS.AI) 2026-06-11 DOI: arXiv:2606.11518

SirenFNO: Efficient and Full Frequency Learning of Fourier Neural Operators

作者:

Pengqing Shi↗Jie Yin↗Stephen Tierney↗Junbin Gao↗

arXiv:2606.11518v1 Announce Type: cross Abstract: Fourier neural operators (FNOs) are effective and efficient surrogates for approximating solutions of PDEs and generalize across discretizations. However, owing to the reliance on frequency truncation to maintain learning efficiency of FNOs, empirical studies suggest that FNOs exhibit spectral bias toward low-frequency information, which may hinder the learning capability especially for certain PDEs with strong high-frequency oscillations. To address this limitation, we propose SirenFNO, a novel framework that leverages sinusoidal representation networks (SIRENs) to learn implicit neural representations and performs mode-wise kernel parameterization. Our SIREN parameterization learns a full-grid spectrum with a constant and discretization-independent parameter count, thereby eliminating the need for frequency truncation. We further extend SirenFNO with functional tensor decompositions to enhance parameter and learning efficiency. Empirical results show that our SirenFNO consistently outperforms FNO with approximately $4$ to $15$ times parameter reductions with preserved discretization invariance, and our functional decomposition variants obtain performance improvements with a maximum of $73$ times fewer parameters across multiple PDE benchmarks.

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